UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[(2-chloro-3-pyridyl)amino]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 6.95 -55.16 1 5 -1 82 295.746 4 ↓
Lo Low (pH 4.5-6) 2.35 4.87 -12.33 2 5 0 79 296.754 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-cyclohexylacetyl)amino]pyridine-3-carboxylic 5-[(2-cyclohexylacetyl)amino]pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.34 6.25 -58.12 1 5 -1 82 261.301 4 ↓
Lo Low (pH 4.5-6) 2.34 6.71 -57.81 2 5 0 83 262.309 4 ↓

Analogs

37028697
37028697
37794438
37794438
37794439
37794439
37794440
37794440
37794441
37794441

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclohexyl-N-[2-(dimethylamino)-3-pyridyl]acetamide 2-cyclohexyl-N-[2-(dimethylamino…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.01 7.39 -8.61 1 4 0 45 261.369 4 ↓
Mid Mid (pH 6-8) 3.01 7.85 -30.58 2 4 1 46 262.377 4 ↓

Parameters Provided:

ring.id = 66291
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 66291 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=66291&filter.purchasability=annotated

Embed Link to Results